smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2cc([C@H]3CN(C[C@H]4CC[C@@H]([NH3+])CC4)CCO3)ccc2c1	ZINC000247960363	525640250	/nfs/dbraw/zinc/64/02/50/525640250.db2.gz	QJYRHBSHOUEVLB-QGCDCVKKSA-N	1	3	354.494	3.739	10	0		FHAEHO
CC1(C)NC(=N)NC(=[NH2+])N1c1cccc(COc2ccc3ccccc3c2)c1	ZINC000029218398	581092269	/nfs/dbraw/zinc/09/22/69/581092269.db2.gz	CRVSPVPRADASJG-UHFFFAOYSA-N	1	3	373.460	3.604	10	0		FHAEHO
Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](N)c1ccccc1	ZINC000034055701	570647543	/nfs/dbraw/zinc/64/75/43/570647543.db2.gz	QOFZYOSOELDKMC-JKWVGCSGSA-N	1	3	367.541	3.968	10	0	in-vitro	FHAEHO
Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](N)c1ccccc1	ZINC000034055701	570647547	/nfs/dbraw/zinc/64/75/47/570647547.db2.gz	QOFZYOSOELDKMC-JKWVGCSGSA-N	1	3	367.541	3.968	10	0	in-vitro	FHAEHO
Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)N2CC[C@H]([NH3+])c1ccccc1	ZINC000034055701	570647549	/nfs/dbraw/zinc/64/75/49/570647549.db2.gz	QOFZYOSOELDKMC-JKWVGCSGSA-N	1	3	367.541	3.968	10	0	in-vitro	FHAEHO
Cc1ccc(C2(CN(C)Cc3ccc4ccccc4n3)CC[NH2+]CC2)nc1	ZINC000065505876	205357085	/nfs/dbraw/zinc/35/70/85/205357085.db2.gz	VEMYSOREZBHIMN-UHFFFAOYSA-N	1	3	360.505	3.691	10	0		FHAEHO
FC(F)(F)[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CCO1	ZINC000311909214	568198316	/nfs/dbraw/zinc/19/83/16/568198316.db2.gz	DVLOHXSZXLFVJU-APAFKAMOSA-N	1	3	368.443	3.597	10	0		FHAEHO
CN1CCC(c2nccn2CC[N@@H+]2CCC[C@H](c3ccccc3)C2)CC1	ZINC000071747295	571079899	/nfs/dbraw/zinc/07/98/99/571079899.db2.gz	WCJBATWFRCNRFL-NRFANRHFSA-N	1	3	352.526	3.572	10	0		FHAEHO
CN1CCC(c2nccn2CC[N@H+]2CCC[C@H](c3ccccc3)C2)CC1	ZINC000071747295	571079900	/nfs/dbraw/zinc/07/99/00/571079900.db2.gz	WCJBATWFRCNRFL-NRFANRHFSA-N	1	3	352.526	3.572	10	0		FHAEHO
FC(F)(F)[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CCO1	ZINC000311909215	568198291	/nfs/dbraw/zinc/19/82/91/568198291.db2.gz	DVLOHXSZXLFVJU-FQBWVUSXSA-N	1	3	368.443	3.597	10	0		FHAEHO
O[C@H]1[C@H](N2CC=CCC2)c2ccccc2C12CC[NH+](Cc1ccccc1)CC2	ZINC000020201860	211271499	/nfs/dbraw/zinc/27/14/99/211271499.db2.gz	CVDMCQKZFJDGSZ-RPWUZVMVSA-N	1	3	374.528	3.898	10	0		FHAEHO
FC(F)(F)[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CCO1	ZINC000311909218	568198302	/nfs/dbraw/zinc/19/83/02/568198302.db2.gz	DVLOHXSZXLFVJU-VHPHOLNESA-N	1	3	368.443	3.597	10	0		FHAEHO
Cc1ccc(CN2CCC(C[N@@H+](C)Cc3ccc4nsnc4c3)CC2)o1	ZINC000011953277	570713151	/nfs/dbraw/zinc/71/31/51/570713151.db2.gz	ONSKQGNSVYKJGZ-UHFFFAOYSA-N	1	3	370.522	3.937	10	0		FHAEHO
Cc1ccc(CN2CCC(C[N@H+](C)Cc3ccc4nsnc4c3)CC2)o1	ZINC000011953277	570713154	/nfs/dbraw/zinc/71/31/54/570713154.db2.gz	ONSKQGNSVYKJGZ-UHFFFAOYSA-N	1	3	370.522	3.937	10	0		FHAEHO
CC1(C)NC(=N)NC(=[NH2+])N1c1cccc(CCCCCc2ccccc2)c1	ZINC000017039550	534961628	/nfs/dbraw/zinc/96/16/28/534961628.db2.gz	IRLXONLJLMXJCM-UHFFFAOYSA-N	1	3	363.509	3.828	10	0		FHAEHO
CN1CCC(c2nccn2CC[N@@H+]2CCC[C@@H](c3ccccc3)C2)CC1	ZINC000071747296	221359326	/nfs/dbraw/zinc/35/93/26/221359326.db2.gz	WCJBATWFRCNRFL-OAQYLSRUSA-N	1	3	352.526	3.572	10	0		FHAEHO
CN1CCC(c2nccn2CC[N@H+]2CCC[C@@H](c3ccccc3)C2)CC1	ZINC000071747296	221359328	/nfs/dbraw/zinc/35/93/28/221359328.db2.gz	WCJBATWFRCNRFL-OAQYLSRUSA-N	1	3	352.526	3.572	10	0		FHAEHO
COc1ccc2cc([C@@H]3CN(C[C@H]4CC[C@@H]([NH3+])CC4)CCO3)ccc2c1	ZINC000247960361	525638574	/nfs/dbraw/zinc/63/85/74/525638574.db2.gz	QJYRHBSHOUEVLB-AQKFKSFVSA-N	1	3	354.494	3.739	10	0		FHAEHO
Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](N)c1ccccc1	ZINC000306122179	571204123	/nfs/dbraw/zinc/20/41/23/571204123.db2.gz	QOFZYOSOELDKMC-WOZUAGRISA-N	1	3	367.541	3.968	10	0		FHAEHO
Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](N)c1ccccc1	ZINC000306122179	571204125	/nfs/dbraw/zinc/20/41/25/571204125.db2.gz	QOFZYOSOELDKMC-WOZUAGRISA-N	1	3	367.541	3.968	10	0		FHAEHO
Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H]([NH3+])c1ccccc1	ZINC000306122179	571204126	/nfs/dbraw/zinc/20/41/26/571204126.db2.gz	QOFZYOSOELDKMC-WOZUAGRISA-N	1	3	367.541	3.968	10	0		FHAEHO
Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H](N)c1ccccc1	ZINC000306146966	223114228	/nfs/dbraw/zinc/11/42/28/223114228.db2.gz	QOFZYOSOELDKMC-JGUMPVPUSA-N	1	3	367.541	3.968	10	0		FHAEHO
Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H](N)c1ccccc1	ZINC000306146966	223114231	/nfs/dbraw/zinc/11/42/31/223114231.db2.gz	QOFZYOSOELDKMC-JGUMPVPUSA-N	1	3	367.541	3.968	10	0		FHAEHO
Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)N2CC[C@@H]([NH3+])c1ccccc1	ZINC000306146966	223114234	/nfs/dbraw/zinc/11/42/34/223114234.db2.gz	QOFZYOSOELDKMC-JGUMPVPUSA-N	1	3	367.541	3.968	10	0		FHAEHO
FC(F)(F)[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)CCO1	ZINC000311909217	568198272	/nfs/dbraw/zinc/19/82/72/568198272.db2.gz	DVLOHXSZXLFVJU-NNIGNNQHSA-N	1	3	368.443	3.597	10	0		FHAEHO
CN1C[C@H]2[C@@H](C1)[C@@H](c1cccc3ccccc31)[NH2+][C@]2(CO)c1ccccc1	ZINC000065382156	221207189	/nfs/dbraw/zinc/20/71/89/221207189.db2.gz	YMHMYUYWVASCDG-UEQSERJNSA-N	1	3	358.485	3.550	10	0		FHAEHO
Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](N)c1ccccc1	ZINC000306122178	571204165	/nfs/dbraw/zinc/20/41/65/571204165.db2.gz	QOFZYOSOELDKMC-BQJUDKOJSA-N	1	3	367.541	3.968	10	0		FHAEHO
Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](N)c1ccccc1	ZINC000306122178	571204167	/nfs/dbraw/zinc/20/41/67/571204167.db2.gz	QOFZYOSOELDKMC-BQJUDKOJSA-N	1	3	367.541	3.968	10	0		FHAEHO
Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)N2CC[C@H]([NH3+])c1ccccc1	ZINC000306122178	571204170	/nfs/dbraw/zinc/20/41/70/571204170.db2.gz	QOFZYOSOELDKMC-BQJUDKOJSA-N	1	3	367.541	3.968	10	0		FHAEHO